Ligand-guided homology modeling drives identification of novel histamine H3 receptor ligands.
basic_science · Level V
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- Record sourced from PubMed, PMID 31237914.
- Also identified by DOI 10.1371/journal.pone.0218820 and PMC identifier 6592549.
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Abstract
In this study, we report a ligand-guided homology modeling approach allowing the analysis of relevant binding site residue conformations and the identification of two novel histamine H3 receptor ligands with binding affinity in the nanomolar range. The newly developed method is based on exploiting an essential charge interaction characteristic for aminergic G-protein coupled receptors for ranking 3D receptor models appropriate for the discovery of novel compounds through virtual screening.
Medical subject headings
- Receptors, Histamine H3